{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.197038 ] [ 0 0.5 0.802962 ] [ 0 0 0 ] [ 0.5 0 0.697038 ] [ 0.5 0 0.302962 ] [ 0.5 0.5 0.5 ] [ 0.5 0.357336 0 ] [ 0.5 0.642664 0 ] [ 0 0.857336 0.5 ] [ 0 0.142664 0.5 ] [ 0.5 0.23835 0.122086 ] [ 0.5 0.76165 0.122086 ] [ 0.5 0.23835 0.877914 ] [ 0.5 0.76165 0.877914 ] [ 0 0.73835 0.622086 ] [ 0 0.26165 0.622086 ] [ 0 0.73835 0.377914 ] [ 0 0.26165 0.377914 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.51351198829 "source-unit" "angstrom" } "b" { "source-value" 6.21885104715 "source-unit" "angstrom" } "c" { "source-value" 10.5637991434 "source-unit" "angstrom" } }